N-(4-phenyl-1,3-thiazol-2-yl)-3-(pyridin-3-ylsulfonylamino)pyridine-4-carboxamide

C20H15N5O3S2 — CID 70789450

IUPACN-(4-phenyl-1,3-thiazol-2-yl)-3-(pyridin-3-ylsulfonylamino)pyridine-4-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)c1ccncc1NS(=O)(=O)c1cccnc1
InChIInChI=1S/C20H15N5O3S2/c26-19(24-20-23-18(13-29-20)14-5-2-1-3-6-14)16-8-10-22-12-17(16)25-30(27,28)15-7-4-9-21-11-15/h1-13,25H,(H,23,24,26)
InChIKeyPKXGEMWOLLLERF-UHFFFAOYSA-N
MW437.51 g/mol
LogP3.65
Rot. Bonds6

About N-(4-phenyl-1,3-thiazol-2-yl)-3-(pyridin-3-ylsulfonylamino)pyridine-4-carboxamide

N-(4-phenyl-1,3-thiazol-2-yl)-3-(pyridin-3-ylsulfonylamino)pyridine-4-carboxamide (PubChem CID 70789450) has the molecular formula C20H15N5O3S2 and a molecular weight of 437.51 g/mol. Its IUPAC name is N-(4-phenyl-1,3-thiazol-2-yl)-3-(pyridin-3-ylsulfonylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-phenyl-1,3-thiazol-2-yl)-3-(pyridin-3-ylsulfonylamino)pyridine-4-carboxamide
PubChem CID70789450
Molecular FormulaC20H15N5O3S2
Molecular Weight437.51 g/mol
Exact Mass437.06
IUPAC NameN-(4-phenyl-1,3-thiazol-2-yl)-3-(pyridin-3-ylsulfonylamino)pyridine-4-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)c1ccncc1NS(=O)(=O)c1cccnc1
InChIInChI=1S/C20H15N5O3S2/c26-19(24-20-23-18(13-29-20)14-5-2-1-3-6-14)16-8-10-22-12-17(16)25-30(27,28)15-7-4-9-21-11-15/h1-13,25H,(H,23,24,26)
InChIKeyPKXGEMWOLLLERF-UHFFFAOYSA-N
XLogP3.65
TPSA113.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.51
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(3,5-dimethylphenyl)-5-(4-pyridyl)-1,3-thiazol-2-yl]nicotinamide
CID 22282339
N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 790259
3-Pyridinecarboxamide, N-(4-phenyl-2-thiazolyl)-
CID 203433
4-{[4-Amino-5-(Pyridin-3-Ylcarbonyl)-1,3-Thiazol-2-Yl]amino}benzenesulfonamide
CID 66553052
N-[5-(5-benzenesulphonamido-6-chloropyridin-3-yl)-4-methylthiazol-2-yl]acetamide
CID 11541283
N-(2-aminoethyl)-5-[2-[[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
CID 15979868
N-[2-[[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 121445752
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)nicotinamide
CID 804510
2-(2-cyclopropanesulfonamido-1,3-thiazol-4-yl)-2-methyl-N-{5-[6-(trifluoromethyl)pyrazin-2-yl]pyridin-2-yl}propanamide
CID 138674003
N-[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-5-tritiopyridine-3-carboxamide
CID 166635231
N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]pyridine-3-carboxamide
CID 940243
2-(methylsulfanyl)-N-[4-(pyridin-2-yl)-1,3-thiazol-2-yl]benzamide
CID 2526359

Frequently Asked Questions

What is the IUPAC name of N-(4-phenyl-1,3-thiazol-2-yl)-3-(pyridin-3-ylsulfonylamino)pyridine-4-carboxamide?
The IUPAC name of N-(4-phenyl-1,3-thiazol-2-yl)-3-(pyridin-3-ylsulfonylamino)pyridine-4-carboxamide (CID 70789450) is N-(4-phenyl-1,3-thiazol-2-yl)-3-(pyridin-3-ylsulfonylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-phenyl-1,3-thiazol-2-yl)-3-(pyridin-3-ylsulfonylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(4-phenyl-1,3-thiazol-2-yl)-3-(pyridin-3-ylsulfonylamino)pyridine-4-carboxamide is O=C(Nc1nc(-c2ccccc2)cs1)c1ccncc1NS(=O)(=O)c1cccnc1.
What is the InChIKey of N-(4-phenyl-1,3-thiazol-2-yl)-3-(pyridin-3-ylsulfonylamino)pyridine-4-carboxamide?
The InChIKey is PKXGEMWOLLLERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O3S2/c26-19(24-20-23-18(13-29-20)14-5-2-1-3-6-14)16-8-10-22-12-17(16)25-30(27,28)15-7-4-9-21-11-15/h1-13,25H,(H,23,24,26).
What are the key properties of N-(4-phenyl-1,3-thiazol-2-yl)-3-(pyridin-3-ylsulfonylamino)pyridine-4-carboxamide?
N-(4-phenyl-1,3-thiazol-2-yl)-3-(pyridin-3-ylsulfonylamino)pyridine-4-carboxamide has a molecular weight of 437.51 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenyl-1,3-thiazol-2-yl)-3-(pyridin-3-ylsulfonylamino)pyridine-4-carboxamide is sourced from PubChem (CID 70789450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).